Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InchI Key
YIYBQIKDCADOSF-ARJAWSKDSA-N
SMILES
CC/C=C\C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C\C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.1742 0.7324 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4122 -0.5100 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0119 -0.1675 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9690 -0.6857 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3578 -0.3032 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2668 -0.8115 1.0785 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7679 0.6389 -0.5689 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7037 1.1034 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4808 1.5020 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9446 0.5516 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5934 -1.3233 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7628 -0.8983 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2649 0.5835 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7180 -1.4176 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7154 1.0052 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers